3-(Dimethylamino)-1-phenyl-1-propanone

HCID 77042
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
3506-36-3
Standard SMILES
CN(C)CCC(=O)c1ccccc1
InChIKey
QMNXJNURJISYMS-UHFFFAOYSA-N
Molecular formula
C11H15NO
Average molar mass
177.24 g/mol
Monoisotopic mass
177.1153641

Names & identifiers

Preferred name
3-(Dimethylamino)-1-phenyl-1-propanone
IUPAC
3-(dimethylamino)-1-phenylpropan-1-one
English name
3-(Dimethylamino)-1-phenylpropan-1-one
Molecular formula
C11H15NO
Molecular weight
177.24

Names & synonyms

3506-36-33-(Dimethylamino)propiophenonebeta-(Dimethylamino)propiophenone3-(Dimethylamino)-1-phenyl-1-propanone1-Propanone, 3-(dimethylamino)-1-phenyl-Propiophenone, 3-(dimethylamino)-844YA6J34KNSC-89DTXSID50188564RefChem:1067089DTXCID10111055222-502-0
Show more names
Fluoxetine Impurity 9B-Dimethylaminopropiophenone3-(dimethylamino)-propiophenonβ-(Dimethylamino)propiophenoneFluoxetine intermediate FXT-1cβ-(Dimethylamino)-propiophenone3-(dimethylamino)-1-phenyl-1-propanon
3-(dimethylamino)-1-phenylpropan-1-onebeta-DimethylaminopropiophenoneCHEMBL501153-dimethylamino-1-phenylpropan-1-one3-(dimethylamino)-1-phenyl-propan-1-one2-BenzylethyldimethylamineF0861-0016NSC629913

Database identifiers

CAS
3506-36-3
PubChem CID
77042
DTXSID
DTXSID50188564
ChEMBL
CHEMBL50115
UNII
844YA6J34K
EC Number
222-502-0
Nikkaji
J31.085I

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
20.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
13

Experimental & physicochemical properties

LogP1.77

Physicochemical properties

Melting point
31 · 31-33 °C
Boiling point
115 · 115-117 °C(Press: 11 Torr)
Density
1.017 g/cm3 · 1.017 g/cm3
storage temp.
2 · 2-8°C
pka
8.81 · 8.81±0.28(Predicted)
FDA UNII
844 YA6J34K · 844YA6J34K

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Sens. 1 (100%)

Chemistry & industry

Upstream & downstream products

Suppliers20 total

怀化元研达生物技术有限责任公司18711085600 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
怀化元研达生物技术有限责任公司18711085600; 18229999901 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
杭州云易国科生物科技有限公司18457506494 · [email protected]

Related reactions

32 records
New reaction record

Compound notes

Loading…